General Information of the Compound
| Compound ID |
CP0446936
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| Compound Name |
N-methyl-4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]benzamide
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| Structure |
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| Formula |
C16H13N3O2S2
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| Molecular Weight |
343.433
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| Canonical SMILES |
CNC(=O)c1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
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| InChI |
InChI=1S/C16H13N3O2S2/c1-17-14(20)10-4-2-9(3-5-10)13-7-6-11(23-13)8-12-15(21)19-16(22)18-12/h2-8H,1H3,(H,17,20)(H2,18,19,21,22)/b12-8+
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| InChIKey |
QGRFVEURMJOKKY-XYOKQWHBSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound